About 3-[1-[4-(1,1-difluoroethoxy)phenyl]pyrazol-3-yl]benzoic acid;3-[1-[4-(1,1-difluoroethyl)phenyl]pyrazol-3-yl]benzoic acid;3-[1-[4-(1,1-difluoroethyl)phenyl]pyrazol-3-yl]benzonitrile;3-[1-(3-fluoro-4-methylphenyl)pyrazol-3-yl]benzonitrile;methyl 3-[3-(3-cyanophenyl)pyrazol-1-yl]benzoate;3-(1-phenylpyrazol-3-yl)benzoic acid
3-[1-[4-(1,1-difluoroethoxy)phenyl]pyrazol-3-yl]benzoic acid;3-[1-[4-(1,1-difluoroethyl)phenyl]pyrazol-3-yl]benzoic acid;3-[1-[4-(1,1-difluoroethyl)phenyl]pyrazol-3-yl]benzonitrile;3-[1-(3-fluoro-4-methylphenyl)pyrazol-3-yl]benzonitrile;methyl 3-[3-(3-cyanophenyl)pyrazol-1-yl]benzoate;3-(1-phenylpyrazol-3-yl)benzoic acid (PubChem CID 159501447) has the molecular formula C105H78F7N15O9
and a molecular weight of 1826.86 g/mol. Its IUPAC name is 3-[1-[4-(1,1-difluoroethoxy)phenyl]pyrazol-3-yl]benzoic acid;3-[1-[4-(1,1-difluoroethyl)phenyl]pyrazol-3-yl]benzoic acid;3-[1-[4-(1,1-difluoroethyl)phenyl]pyrazol-3-yl]benzonitrile;3-[1-(3-fluoro-4-methylphenyl)pyrazol-3-yl]benzonitrile;methyl 3-[3-(3-cyanophenyl)pyrazol-1-yl]benzoate;3-(1-phenylpyrazol-3-yl)benzoic acid.
Analyze 3-[1-[4-(1,1-difluoroethoxy)phenyl]pyrazol-3-yl]benzoic acid;3-[1-[4-(1,1-difluoroethyl)phenyl]pyrazol-3-yl]benzoic acid;3-[1-[4-(1,1-difluoroethyl)phenyl]pyrazol-3-yl]benzonitrile;3-[1-(3-fluoro-4-methylphenyl)pyrazol-3-yl]benzonitrile;methyl 3-[3-(3-cyanophenyl)pyrazol-1-yl]benzoate;3-(1-phenylpyrazol-3-yl)benzoic acid with MolForge
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Frequently Asked Questions
What is the IUPAC name of 3-[1-[4-(1,1-difluoroethoxy)phenyl]pyrazol-3-yl]benzoic acid;3-[1-[4-(1,1-difluoroethyl)phenyl]pyrazol-3-yl]benzoic acid;3-[1-[4-(1,1-difluoroethyl)phenyl]pyrazol-3-yl]benzonitrile;3-[1-(3-fluoro-4-methylphenyl)pyrazol-3-yl]benzonitrile;methyl 3-[3-(3-cyanophenyl)pyrazol-1-yl]benzoate;3-(1-phenylpyrazol-3-yl)benzoic acid?
The IUPAC name of 3-[1-[4-(1,1-difluoroethoxy)phenyl]pyrazol-3-yl]benzoic acid;3-[1-[4-(1,1-difluoroethyl)phenyl]pyrazol-3-yl]benzoic acid;3-[1-[4-(1,1-difluoroethyl)phenyl]pyrazol-3-yl]benzonitrile;3-[1-(3-fluoro-4-methylphenyl)pyrazol-3-yl]benzonitrile;methyl 3-[3-(3-cyanophenyl)pyrazol-1-yl]benzoate;3-(1-phenylpyrazol-3-yl)benzoic acid (CID 159501447) is 3-[1-[4-(1,1-difluoroethoxy)phenyl]pyrazol-3-yl]benzoic acid;3-[1-[4-(1,1-difluoroethyl)phenyl]pyrazol-3-yl]benzoic acid;3-[1-[4-(1,1-difluoroethyl)phenyl]pyrazol-3-yl]benzonitrile;3-[1-(3-fluoro-4-methylphenyl)pyrazol-3-yl]benzonitrile;methyl 3-[3-(3-cyanophenyl)pyrazol-1-yl]benzoate;3-(1-phenylpyrazol-3-yl)benzoic acid.
What is the SMILES notation for 3-[1-[4-(1,1-difluoroethoxy)phenyl]pyrazol-3-yl]benzoic acid;3-[1-[4-(1,1-difluoroethyl)phenyl]pyrazol-3-yl]benzoic acid;3-[1-[4-(1,1-difluoroethyl)phenyl]pyrazol-3-yl]benzonitrile;3-[1-(3-fluoro-4-methylphenyl)pyrazol-3-yl]benzonitrile;methyl 3-[3-(3-cyanophenyl)pyrazol-1-yl]benzoate;3-(1-phenylpyrazol-3-yl)benzoic acid?
The canonical SMILES for 3-[1-[4-(1,1-difluoroethoxy)phenyl]pyrazol-3-yl]benzoic acid;3-[1-[4-(1,1-difluoroethyl)phenyl]pyrazol-3-yl]benzoic acid;3-[1-[4-(1,1-difluoroethyl)phenyl]pyrazol-3-yl]benzonitrile;3-[1-(3-fluoro-4-methylphenyl)pyrazol-3-yl]benzonitrile;methyl 3-[3-(3-cyanophenyl)pyrazol-1-yl]benzoate;3-(1-phenylpyrazol-3-yl)benzoic acid is CC(F)(F)Oc1ccc(-n2ccc(-c3cccc(C(=O)O)c3)n2)cc1.CC(F)(F)c1ccc(-n2ccc(-c3cccc(C#N)c3)n2)cc1.CC(F)(F)c1ccc(-n2ccc(-c3cccc(C(=O)O)c3)n2)cc1.COC(=O)c1cccc(-n2ccc(-c3cccc(C#N)c3)n2)c1.Cc1ccc(-n2ccc(-c3cccc(C#N)c3)n2)cc1F.O=C(O)c1cccc(-c2ccn(-c3ccccc3)n2)c1.
What is the InChIKey of 3-[1-[4-(1,1-difluoroethoxy)phenyl]pyrazol-3-yl]benzoic acid;3-[1-[4-(1,1-difluoroethyl)phenyl]pyrazol-3-yl]benzoic acid;3-[1-[4-(1,1-difluoroethyl)phenyl]pyrazol-3-yl]benzonitrile;3-[1-(3-fluoro-4-methylphenyl)pyrazol-3-yl]benzonitrile;methyl 3-[3-(3-cyanophenyl)pyrazol-1-yl]benzoate;3-(1-phenylpyrazol-3-yl)benzoic acid?
The InChIKey is LZKXTSGWLYCSBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13F2N3.C18H14F2N2O3.C18H14F2N2O2.C18H13N3O2.C17H12FN3.C16H12N2O2/c1-18(19,20)15-5-7-16(8-6-15)23-10-9-17(22-23)14-4-2-3-13(11-14)12-21;1-18(19,20)25-15-7-5-14(6-8-15)22-10-9-16(21-22)12-3-2-4-13(11-12)17(23)24;1-18(19,20)14-5-7-15(8-6-14)22-10-9-16(21-22)12-3-2-4-13(11-12)17(23)24;1-23-18(22)15-6-3-7-16(11-15)21-9-8-17(20-21)14-5-2-4-13(10-14)12-19;1-12-5-6-15(10-16(12)18)21-8-7-17(20-21)14-4-2-3-13(9-14)11-19;19-16(20)13-6-4-5-12(11-13)15-9-10-18(17-15)14-7-2-1-3-8-14/h2-11H,1H3;2-11H,1H3,(H,23,24);2-11H,1H3,(H,23,24);2-11H,1H3;2-10H,1H3;1-11H,(H,19,20).
What are the key properties of 3-[1-[4-(1,1-difluoroethoxy)phenyl]pyrazol-3-yl]benzoic acid;3-[1-[4-(1,1-difluoroethyl)phenyl]pyrazol-3-yl]benzoic acid;3-[1-[4-(1,1-difluoroethyl)phenyl]pyrazol-3-yl]benzonitrile;3-[1-(3-fluoro-4-methylphenyl)pyrazol-3-yl]benzonitrile;methyl 3-[3-(3-cyanophenyl)pyrazol-1-yl]benzoate;3-(1-phenylpyrazol-3-yl)benzoic acid?
3-[1-[4-(1,1-difluoroethoxy)phenyl]pyrazol-3-yl]benzoic acid;3-[1-[4-(1,1-difluoroethyl)phenyl]pyrazol-3-yl]benzoic acid;3-[1-[4-(1,1-difluoroethyl)phenyl]pyrazol-3-yl]benzonitrile;3-[1-(3-fluoro-4-methylphenyl)pyrazol-3-yl]benzonitrile;methyl 3-[3-(3-cyanophenyl)pyrazol-1-yl]benzoate;3-(1-phenylpyrazol-3-yl)benzoic acid has a molecular weight of 1826.86 g/mol, XLogP of 23.39, 20 rotatable bonds, 3 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[4-(1,1-difluoroethoxy)phenyl]pyrazol-3-yl]benzoic acid;3-[1-[4-(1,1-difluoroethyl)phenyl]pyrazol-3-yl]benzoic acid;3-[1-[4-(1,1-difluoroethyl)phenyl]pyrazol-3-yl]benzonitrile;3-[1-(3-fluoro-4-methylphenyl)pyrazol-3-yl]benzonitrile;methyl 3-[3-(3-cyanophenyl)pyrazol-1-yl]benzoate;3-(1-phenylpyrazol-3-yl)benzoic acid is sourced from PubChem (CID 159501447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).